CAS 733740-22-2

rel-(1R,2S)-2-(3,5-Dimethylbenzoyl)cyclopentanecarboxylic acid

Description:

Rel-(1R,2S)-2-(3,5-Dimethylbenzoyl)cyclopentanecarboxylic acid is a chiral compound characterized by its specific stereochemistry, indicated by the (1R,2S) configuration. This compound features a cyclopentane ring substituted with a carboxylic acid group and a 3,5-dimethylbenzoyl moiety, which contributes to its unique chemical properties. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions, while the aromatic dimethylbenzoyl group may enhance its hydrophobic characteristics and influence its solubility in organic solvents. The compound's chirality can lead to different biological activities depending on the stereoisomer, making it of interest in pharmaceutical applications. Additionally, its molecular structure may allow for various interactions, such as hydrogen bonding and π-π stacking, which can affect its reactivity and stability. Overall, this compound's distinct features make it a subject of interest in organic synthesis and medicinal chemistry.

Formula: C₁₅H₁₈O₃

InChI: InChI=1/C15H18O3/c1-9-6-10(2)8-11(7-9)14(16)12-4-3-5-13(12)15(17)18/h6-8,12-13H,3-5H2,1-2H3,(H,17,18)/t12-,13+/s2

InChI key: InChIKey=UULJYEIVQURUSE-QWAQRTLVNA-N

SMILES: C(=O)([C@H]1[C@@H](C(O)=O)CCC1)C2=CC(C)=CC(C)=C2

Synonyms:

• Cyclopentanecarboxylic acid, 2-(3,5-dimethylbenzoyl)-, (1R,2S)-rel-
• rel-(1R,2S)-2-(3,5-Dimethylbenzoyl)cyclopentanecarboxylic acid